Molecule

ID:110455

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O
Molecular Mass
184.31836
Exact Mass
184.18271539
Charge
0
InChI
InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
InChIKey
NFAVNWJJYQAGNB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(C=O)C
Isomeric Smiles
CCCCCCCCCC(C)C=O
Calculated Properties
JChem
Acid pKa
16.07506
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4181094
LogD (pH = 7.4)
4.4181094
Log P
4.4181094
Molar Refractivity
57.7277
Polarizability
22.924746
Polar Surface Area
17.07
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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